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p-Phenylazobenzoic acid, p-chlorophenyl ester
SpectraBase Compound ID DIDcEJUOqHr
InChI InChI=1S/C19H13ClN2O2/c20-15-8-12-18(13-9-15)24-19(23)14-6-10-17(11-7-14)22-21-16-4-2-1-3-5-16/h1-13H/b22-21+
InChIKey IVEOIYDTCCYVIL-QURGRASLSA-N
Mol Weight 336.78 g/mol
Molecular Formula C19H13ClN2O2
Exact Mass 336.066555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHlRurfGbK5
Name p-Phenylazobenzoic acid, p-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.066555365 u
Formula C19H13ClN2O2
InChI InChI=1S/C19H13ClN2O2/c20-15-8-12-18(13-9-15)24-19(23)14-6-10-17(11-7-14)22-21-16-4-2-1-3-5-16/h1-13H/b22-21+
InChIKey IVEOIYDTCCYVIL-QURGRASLSA-N
Molecular Weight 336.778 g/mol
SMILES C=1C(=CC=CC1)\N=N\C=1C=CC(=CC1)C(OC=1C=CC(=CC1)Cl)=O